5-chloranyl-2-[4-(3-methylpyridin-1-ium-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[4-(3-methylpyridin-1-ium-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-[4-(3-methylpyridin-1-ium-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-[4-(3-methyl-1-pyridin-1-iumyl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-[4-(3-methylpyridin-1-ium-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-[4-(3-methylpyridin-1-ium-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CCCCN2C(=O)C3CC=C(CC3C2=O)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)CCCCN2C(=O)C3CC=C(CC3C2=O)Cl

InChI

InChI=1S/C18H22ClN2O2/c1-13-5-4-9-20(12-13)8-2-3-10-21-17(22)15-7-6-14(19)11-16(15)18(21)23/h4-6,9,12,15-16H,2-3,7-8,10-11H2,1H3/q+1